catena-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-adamantane-1,3-dicarboxylato] monohydrate]

In the title coordination polymer, {[Mn(C12H14O4)(C12H8N2)(H2O)]·H2O}n, the MnII atom has a highly distorted cis-MnN2O4 octahedral geometry arising from its coordination by a bidentate phenanthroline ligand, a water molecule and monodentate and bidentate adamantane-1,3-dicarboxylate dianions. The bridging dianion leads to [001] chains in the crystal. The chains are linked by O—H⋯O hydrogen bonds, involving both the coordinated and uncoordinated water molecules, thereby forming a two-dimensional network.

Data collection: SMART (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97. [[aqua(1,10-phenanthroline) Comment Adamantane-1,3-dicarboxylate (H 2 L), is a dicarboxylaic acid and one of the most stable hydrocarbons, which was discovered in the 1930s. As a consequence of its stability, it can be produced catalytically from a wide various precursor organic substances (Seidel & Stang, 2002). In our recent work, we have studied the supramolecular chemistry based on L and 2,2-bipy (Liu et al., 2010). With this background in mind, we continued to our investigation and chose L as a bridging ligand and phenanthroline (phen) ligand to react with the d-block metal ions. Herein, we are interested in self-assembly reactions of Mn II with H 2 L and phen, which led to the title compound, (I).

catena-Poly[
The title compound, {[Mn(L)(phen)(H 2 O)].H 2 O} is comprised of a Mn II , one adamantane-1,3-dicarboxylate dianion and one phen ligand, one coordinated water molecule and one free water molecule. As illustrated in Fig. 1. the Mn II has a highly distorted octahedral coordination sphere (Table 1) comprising two N atoms from one different phen ligand, three one oxygen atoms from the adjacent L ligands and one coordinated water molecule. In title compound, the Mn II ions are linked by L ligands to form chains along the c axis (Fig. 2), and the resulting chains are further held together based on O-H···O hydrogen bonds interactions, shaping 2D supramolecular sheet parallel to [010] ( Table 2).
Compared to the title compound and {[Mn II (L)(2,2'-bipy).H 2 O]}n, the L exhibits bridging bidentate and chelated-bidentate modes in the latter compoud (Liu & Wu, 2010). Moreover, a dinuclear unit Mn II was also shaped due to the different coordinated mode. Thus, the assistant ligand could induce the separated fomration of structures (Chen & Liu., 2002).

Experimental
A mixture of Mn(ac) 2 .H 2 O (25 mg, 0.1 mmol), H 2 L (21 mg, 0.1 mmol), phen (18 mg, 0.1 mmol), NaOH (0.1mmol) and 8 ml H 2 O and CH 3 OH (3ml) was stirred for 1h, and then the mixture was transferred to an 25-ml Teflon-lined reactor and kept under autogenous pressure at 435 K for 3 days,then cooled down to room temperature. Colourless blocks of (I) were obtained.

Refinement
All H atoms attached to C and O (hydroxyl group) atoms were fixed geometrically and treated as riding with C-H = 0.93 Å with U iso (H) = 1.2U eq (). H atoms of water molecules were located in a difference map and refined with restraints of O-H=0.83 (1)Å, and with U iso (H) = 1.5U eq (O). catena-Poly[ [[aqua(1,10-phenanthroline)

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq